@<TRIPOS>MOLECULE
DB07339
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2845    -4.2087    -0.1430	O.2	1	noname	-0.2741
2	C1     1.4318    -3.3085     0.0150	C.2	1	noname	0.1337
3	C2     0.6755    -3.0677     1.3708	C.2	1	noname	0.1325
4	C3     1.0402    -2.3725    -1.0515	C.2	1	noname	0.0594
5	O2     0.5397    -3.9540     2.2418	O.2	1	noname	-0.2750
6	C4     0.1457    -1.7164     1.5222	C.2	1	noname	0.0676
7	C5     0.3859    -1.2287    -0.7776	C.2	1	noname	-0.0639
8	C6     0.0287    -0.8815     0.4769	C.2	1	noname	0.0048
9	N1     0.0655    -0.2838    -1.6153	N.3	1	noname	-0.1416
10	C7    -0.4923     0.4406     0.5165	C.3	1	noname	0.0938
11	C8    -0.4889     0.8520    -0.9675	C.3	1	noname	0.0332
12	C9    -0.8563    -0.7838    -2.5578	C.3	1	noname	-0.0083
13	O3     0.3244     1.2538     1.3527	O.3	1	noname	-0.3869
14	H1     1.2475    -2.5364    -2.1090	H	1	noname	0.0681
15	H2    -0.1834    -1.3047     2.4763	H	1	noname	0.0669
16	H3    -1.4603     0.5109     1.0127	H	1	noname	0.0666
17	H4     0.2133     1.6731    -1.1120	H	1	noname	0.0465
18	H5    -1.5168     0.9459    -1.3176	H	1	noname	0.0465
19	H6    -1.6977    -1.2403    -2.0363	H	1	noname	0.0398
20	H7    -1.2163     0.0334    -3.1828	H	1	noname	0.0398
21	H8    -0.3676    -1.5312    -3.1828	H	1	noname	0.0398
22	H9     0.1312     1.0615     2.2732	H	1	noname	0.2109
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	8	10	1
11	9	11	1
12	9	12	1
13	10	13	1
14	10	11	1
15	4	14	1
16	6	15	1
17	10	16	1
18	11	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	12	21	1
23	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1